Chem
J-GLOBAL ID：201607006116396649
Nikkaji number：J3.478.122B
(R)-2-(3-Chlorophenyl)-2-methyl-5-oxohexanal
(R)-2-(3-クロロフェニル)-2-メチル-5-オキソヘキサナール
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C13H15ClO2
Molecular formula furigana： C13-H15-CL-O2
Molecular weight： 238.710
InChI：
InChI=1S/C13H15ClO2/c1-10(16)6-7-13(2,9-15)11-4-3-5-12(14)8-11/h3-5,8-9H,6-7H2,1-2H3/t13-/m0/s1
InChI key：
IWBJAADGHJHYDT-ZDUSSCGKSA-N
SMILES：
CC(=O)CC[C@@](C)(C=O)c1cccc(Cl)c1
Systematic name (3)：
- (R)-2-(3-クロロフェニル)-2-メチル-5-オキソヘキサナール
- (2R)-2-(3-クロロフェニル)-2-メチル-5-オキソヘキサナール
- (2R)-2-(3-chlorophenyl)-2-methyl-5-oxohexanal
- (R)-2-(3-Chlorophenyl)-2-methyl-5-oxohexanal
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